N-(3-fluoro-4-methylphenyl)-N'-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea
Chemical Structure Depiction of
N-(3-fluoro-4-methylphenyl)-N'-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea
N-(3-fluoro-4-methylphenyl)-N'-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea
Compound characteristics
| Compound ID: | F524-0080 |
| Compound Name: | N-(3-fluoro-4-methylphenyl)-N'-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}urea |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C21 H18 F N5 O2 S |
| Smiles: | Cc1ccccc1C1=NN2C(=NC(CNC(Nc3ccc(C)c(c3)F)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.8843 |
| logD: | 3.8838 |
| logSw: | -4.0517 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.896 |
| InChI Key: | PKNUWWHSTHRYCX-UHFFFAOYSA-N |